SCHEMBL3682906

SCHEMBL3682906

Cc1ccc(C(=N)c2c(-c3cccc4c3Cc3ccccc3-4)ccc3ccccc23)c(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.39
CYP2A6 P11509 2/20 0.39
TSHR P16473 1/20 0.39
PNMT P11086 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP2C19 P33261 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
HTR7 P34969 3/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
BRD4 O60885 1/20 0.33
HTR2B P41595 1/20 0.33
LCK P06239 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3674178 0.83 PNMT (0.42) CYP1A2TSHRPNMTNPC1RAB9A
SCHEMBL3684312 0.82 PNMT (0.37) CYP1A2CYP2A6TSHRPNMTNPC1
SCHEMBL3672074 0.80 PNMT (0.38) PNMTNPC1RAB9AHTR7CA1
SCHEMBL3209545 0.79 CYP1A2 (0.39) CYP1A2CYP2A6TSHRCYP2C19CYP3A4
SCHEMBL3211965 0.78 CYP1A2 (0.38) CYP1A2CYP2A6TSHRCYP2C19CYP3A4
SCHEMBL3676091 0.77 NPC1 (0.40) CYP1A2PNMTNPC1RAB9ACYP2C19
SCHEMBL3202378 0.77 CYP1A2 (0.41) CYP1A2CYP2A6TSHRCYP2C19CYP3A4
SCHEMBL3201472 0.76 CYP1A2 (0.39) CYP1A2CYP2A6TSHRCYP2C19CYP3A4
SCHEMBL3213937 0.76 CYP1A2 (0.39) CYP1A2CYP2A6TSHRCYP2C19CYP3A4
SCHEMBL3682819 0.76 PNMT (0.34) CYP1A2TSHRPNMTNPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732643-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-08 US disclosed
US-20100048933-A1 TRANSITION METAL COMPLEX, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME HANAOKA HIDENORI 2010-02-25 US disclosed
US-20090054607-A1 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same HANAOKA HIDENORI 2009-02-26 US disclosed
US-20040242410-A1 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-02 US disclosed
EP-1426379-A1 TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2004-06-09 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090054607-A1 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same C1R, C1S, AP1M1 CYP1A2 315/4885CYP2A6 721/4885TSHR 1891/4885
US-20100048933-A1 TRANSITION METAL COMPLEX, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME C1R, C1S, AP1M1 CYP1A2 315/4885CYP2A6 721/4885TSHR 1891/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.